iFit
The iFit library (pronounce [eyefit]) is a set of methods to load, analyse, plot, fit and optimize models, and export results. iFit is based on Matlab, but can also be launched without Matlab license (standalone version).Matlab It does not currently include advanced graphical user interfaces (GUI), and rather focuses on doing the math right. Any text file can be imported straight away, and a set of binary files are supported. Any data dimensionality can be handled, including event based data sets (even though not all methods do work for these). Any model can be assembled for fitting data sets. Last, a number of routines are dedicated to the analyses of S(q,w) and S(alpha,beta).
More advanced features include the full automation to compute phonon dispersions in materials, using DFT codes such as ABINIT, ELK, VASP, QuantumEspresso, GPAW and more (Models/sqw_phonons). The software can also compute the neutron TAS resolution function (4D) and fits to experimental data with full resolution convolution (ResLibCal). An interface for McStas and McXtrace is also available to automate and optimize instrument simulations.
Website  http://ifit.mccode.org/ 
Licenses  European Union Public License 1.1 
Categories  Data analysis Sample simulation Visualization Utilities Data reduction Spectroscopies 
Software Requirements  Can run from source code with Matlab installed (requires license). Can run without Matlab license from the compiled packages. Debian installers on the iFit web site and http://packages.mccode.org 
Hardware Requirements  can make use of MPI for e.g. McStas simulations, phonon calculations, etc. 
Platforms  Mac OS Linux Windows 
Languages  C Fortran MATLAB Python 
Input Formats  IDL HDF5 NeXus PDB NetCDF XML AVI CDF CIF CSV EDF FITS GIF JPEG JSON m (MATLAB) MAT MRC OBJ OFF PNG SPC STL Text WAV XLS SIF SPE TIFF  MARCCD SPEC 
Output Formats  HDF5 NeXus NetCDF XML CSV EDF EPS FITS GIF HTML JPEG JSON m (MATLAB) MAT MRC PDF PNG STL SVG Text VRML VTK X3D XLS 
Contact email  ifitusers@mccode.org 
Howto  


Documentation / Tutorials  


References  
E. Farhi, Y. Debab and P. Willendrup, J. Neut. Res., 17 (2013) 5. DOI: 10.3233/JNR130001 

Instruments  IN8 (ILL) IN12 (ILL) IN22 (ILL) ThALES (ILL) 